SCHEMBL25987632

SCHEMBL25987632

CNCCc1c[nH]c2c(C)ncc(OC(C)=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.38
▸ MTNR1A P48039 12/20 0.37
▸ MTNR1B P49286 11/20 0.37
▸ NQO2 P16083 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPRT1 P00492 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRA2A P08913 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25029881 0.88 MTNR1A (0.35) HTR2AMTNR1AMTNR1BNQO2HPRT1
SCHEMBL25029903 0.81 HTR2A (0.36) HTR2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25030327 0.81 HTR2A (0.42) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL25028250 0.79 HTR2A (0.38) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL25987633 0.78 HTR2A (0.50) HTR2AKDM4EALDH1A1LMNANPSR1
SCHEMBL25029895 0.78 MTNR1A (0.46) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL25028270 0.78 HTR2B (0.38) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL25030244 0.76 MTNR1A (0.43) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL23069143 0.73 MTNR1A (0.64) HTR2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL29967548 0.73 MTNR1A (0.64) HTR2AMTNR1AMTNR1BNQO2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 — — US disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 — — US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 — — US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor HTR2C, HTR2A, HTR3C HTR2A 2/4885MTNR1A 124/4885MTNR1B 156/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B HTR2A 2/4885MTNR1A 293/4885MTNR1B 222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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